(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: NI9
File name: alatis_output_compound.sdf
|
Formula: C7F1H11N1O7P2 Compound mass: 302.1103000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.00
- Compound probability: 0.00
List of identified carbohydrate fragments:
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| NI9 | 3DYG 4K10 2OPM 3DYF 3ICN 3ID0 |
| P2H | 3ICM 4JZB |
| 364 | 2E94 |
| ZOL | 3EZ3 2Q58 3N45 4P0W 6G31 3N46 3LDW 2E91 2F8Z 2F9K 4KFA 4KQ5 1ZW5 3IBA 4P0V 2F8C |
| QAF | 5AEL |
Citation:
- Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y
Disclaimer:
- The custom source code, developed using Python3 in the Linux environment. This work is copyrighted under the terms of GPL, and the results are released under CC0 1.0 Universal of the Open Science Framework. The web-service and the source codes are provided on an “as is” basis without warranty of any kind, either expressed or implied. Any usage of the web-server, or modification and application of the source codes are free for academic use when CTPIC publications are cited.
- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.